Base information
| Cat. No. | |
| CAS No. | 1289388-00-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H12ClN3 |
| Molecular Weight | 185.654 |
| Exact Mass | 185.072 |
| XLogP3 | 2.0189 |
| Mr | 49.2307 |
| PSA | 37.81 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CC(NCc1ccnc(n1)Cl)C |
